1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene

C25H36 — CID 173068049

IUPAC1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
SMILESC=CC1CCC(c2ccc(/C=C/C3CCC(CCC)CC3)cc2)CC1
InChIInChI=1S/C25H36/c1-3-5-21-6-8-22(9-7-21)10-11-23-14-18-25(19-15-23)24-16-12-20(4-2)13-17-24/h4,10-11,14-15,18-22,24H,2-3,5-9,12-13,16-17H2,1H3/b11-10+
InChIKeyTVQWLAGEPGVHDX-ZHACJKMWSA-N
MW336.56 g/mol
LogP7.77
Rot. Bonds6

About 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene

1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene (PubChem CID 173068049) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
PubChem CID173068049
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
SMILESC=CC1CCC(c2ccc(/C=C/C3CCC(CCC)CC3)cc2)CC1
InChIInChI=1S/C25H36/c1-3-5-21-6-8-22(9-7-21)10-11-23-14-18-25(19-15-23)24-16-12-20(4-2)13-17-24/h4,10-11,14-15,18-22,24H,2-3,5-9,12-13,16-17H2,1H3/b11-10+
InChIKeyTVQWLAGEPGVHDX-ZHACJKMWSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene
CID 173068307
1-(4-butylcyclohexyl)-4-[4-[2-(4-hept-6-enylcyclohexyl)ethenyl]phenyl]benzene
CID 59498984
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
CID 59695799
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one
CID 91356549

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene (CID 173068049) is 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene is C=CC1CCC(c2ccc(/C=C/C3CCC(CCC)CC3)cc2)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene?
The InChIKey is TVQWLAGEPGVHDX-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H36/c1-3-5-21-6-8-22(9-7-21)10-11-23-14-18-25(19-15-23)24-16-12-20(4-2)13-17-24/h4,10-11,14-15,18-22,24H,2-3,5-9,12-13,16-17H2,1H3/b11-10+.
What are the key properties of 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene?
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene has a molecular weight of 336.56 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene is sourced from PubChem (CID 173068049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).